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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-1201277
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 92
Number of elements: 5
Element list: ['Hg', 'As', 'H', 'O', 'F']
Chemical System: As-F-H-Hg-O
Density: 3.720987727335727
Atomic Density: 0.07348113863522693
Unit Cell Volume: 1252.0219706543185
Molar Volume: 8.195491893361844
Full Formula: Hg4 As10 H12 O4 F62
Reduced Formula: Hg2As5H6O2F31
Formula Anonymous: A2B2C5D6E31
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -425.07468852
Final energy per atom: -4.620377049130434
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.